AB60550
110-13-4 | 2,5-Hexanedione
Manufacturer: A2B Chem
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CatalogNumber
AB60550
ChemicalName
2,5-Hexanedione
CasNumber
110-13-4
MolecularFormula
C6H10O2
MolecularWeight
114.1424
MdlNumber
MFCD00008792
Smiles
CC(=O)CCC(=O)C
NscNumber
7621
Complexity
91.1
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
-0.3
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CatalogNumber: AB60550
ChemicalName: 2,5-Hexanedione
CasNumber: 110-13-4
MolecularFormula: C6H10O2
MolecularWeight: 114.1424
MdlNumber: MFCD00008792
Smiles: CC(=O)CCC(=O)C
NscNumber: 7621
Complexity: 91.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: -0.3
CatalogNumber:
AB60550
ChemicalName:
2,5-Hexanedione
CasNumber:
110-13-4
MolecularFormula:
C6H10O2
MolecularWeight:
114.1424
MdlNumber:
MFCD00008792
Smiles:
CC(=O)CCC(=O)C
NscNumber:
7621
Complexity:
91.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCOC(=O)c1ccc(cn1)C(=O)OCCC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCOC(=O)c1ccc(cn1)C(=O)OCCC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1C(=O)CC(C1=O)O
NscNumber: __
Complexity: 178
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN1C(=O)CC(C1=O)O
NscNumber:
__
Complexity:
178
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(s1)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(s1)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__